SCHEMBL1886642

SCHEMBL1886642

CCCc1nc2cc(N(Cc3ccc(F)cc3)S(=O)(=O)CC)ccc2n1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.46
AGTR2 P50052 3/20 0.46
TBXA2R P21731 4/20 0.43
GNRHR P30968 1/20 0.42
CNR2 P34972 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
APEX1 P27695 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PER2 O15055 1/20 0.38
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38
PPARG P37231 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1890219 0.93 TRPM8 (0.47) AGTR1AGTR2TBXA2RGNRHRCNR2
SCHEMBL1892223 0.89 KCNA5 (0.49) AGTR1AGTR2TBXA2RGNRHRTRPM8
SCHEMBL1888333 0.89 PTGDR2 (0.49) GNRHRCNR2TRPM8GAATHRB
SCHEMBL1883545 0.89 TRPM8 (0.48) AGTR1AGTR2TBXA2RGNRHRCNR2
SCHEMBL1891626 0.89 CNR1 (0.52) AGTR1AGTR2TBXA2RGNRHRCNR2
SCHEMBL1891435 0.88 GNRHR (0.42) AGTR1AGTR2TBXA2RGNRHRCNR2
SCHEMBL1885044 0.86 TRPM8 (0.44) AGTR1AGTR2TBXA2RGNRHRCNR2
SCHEMBL1885728 0.86 AGTR1 (0.46) AGTR1AGTR2TBXA2RGNRHRAPEX1
SCHEMBL1883637 0.85 TRPM8 (0.51) TRPM8
SCHEMBL1887924 0.85 MEN1 (0.47) AGTR1AGTR2TBXA2RGNRHRCNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US claimed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 EP disclosed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 EP disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 US disclosed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 AGTR1 124/4885AGTR2 48/4885TBXA2R 2/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 AGTR1 124/4885AGTR2 48/4885TBXA2R 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.